[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(4-fluorophenyl)furan-2-carboxylate

C18H16FNO6S — CID 55730874

IUPAC[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(4-fluorophenyl)furan-2-carboxylate
SMILESCN(C)S(=O)(=O)c1ccc(COC(=O)c2ccc(-c3ccc(F)cc3)o2)o1
InChIInChI=1S/C18H16FNO6S/c1-20(2)27(22,23)17-10-7-14(25-17)11-24-18(21)16-9-8-15(26-16)12-3-5-13(19)6-4-12/h3-10H,11H2,1-2H3
InChIKeyATLOKFRKBIYOAW-UHFFFAOYSA-N
MW393.39 g/mol
LogP3.29
Rot. Bonds6

About [5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(4-fluorophenyl)furan-2-carboxylate

[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(4-fluorophenyl)furan-2-carboxylate (PubChem CID 55730874) has the molecular formula C18H16FNO6S and a molecular weight of 393.39 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(4-fluorophenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(4-fluorophenyl)furan-2-carboxylate
PubChem CID55730874
Molecular FormulaC18H16FNO6S
Molecular Weight393.39 g/mol
Exact Mass393.07
IUPAC Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(4-fluorophenyl)furan-2-carboxylate
SMILESCN(C)S(=O)(=O)c1ccc(COC(=O)c2ccc(-c3ccc(F)cc3)o2)o1
InChIInChI=1S/C18H16FNO6S/c1-20(2)27(22,23)17-10-7-14(25-17)11-24-18(21)16-9-8-15(26-16)12-3-5-13(19)6-4-12/h3-10H,11H2,1-2H3
InChIKeyATLOKFRKBIYOAW-UHFFFAOYSA-N
XLogP3.29
TPSA89.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(4-fluorophenyl)furan-2-carboxylate?
The IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(4-fluorophenyl)furan-2-carboxylate (CID 55730874) is [5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(4-fluorophenyl)furan-2-carboxylate.
What is the SMILES notation for [5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(4-fluorophenyl)furan-2-carboxylate?
The canonical SMILES for [5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(4-fluorophenyl)furan-2-carboxylate is CN(C)S(=O)(=O)c1ccc(COC(=O)c2ccc(-c3ccc(F)cc3)o2)o1.
What is the InChIKey of [5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(4-fluorophenyl)furan-2-carboxylate?
The InChIKey is ATLOKFRKBIYOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO6S/c1-20(2)27(22,23)17-10-7-14(25-17)11-24-18(21)16-9-8-15(26-16)12-3-5-13(19)6-4-12/h3-10H,11H2,1-2H3.
What are the key properties of [5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(4-fluorophenyl)furan-2-carboxylate?
[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(4-fluorophenyl)furan-2-carboxylate has a molecular weight of 393.39 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(4-fluorophenyl)furan-2-carboxylate is sourced from PubChem (CID 55730874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).